SCHEMBL20997114

SCHEMBL20997114

CC(C)CC(NC(C)(C)C)C(=O)NC(CCCNC(N)=O)C(=O)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 15/20 0.39
▸ NPY1R P25929 9/20 0.39
▸ NPY5R Q15761 8/20 0.39
▸ NPY2R P49146 5/20 0.39
▸ FOLH1 Q04609 1/20 0.38
▸ BIRC2 Q13490 2/20 0.37
▸ KISS1R Q969F8 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22139606 1.00 NPY4R (0.39) NPY4RNPY1RNPY5RNPY2RFOLH1
SCHEMBL21532917 0.89 CACNA1B (0.43) NPY4RNPY1RNPY5RNPY2RFOLH1
SCHEMBL21532937 0.88 NPY4R (0.39) NPY4RNPY1RNPY5RNPY2RFOLH1
SCHEMBL20997126 0.88 NPY4R (0.37) NPY4RNPY1RNPY5RNPY2RFOLH1
SCHEMBL20997215 0.86 KISS1R (0.36) NPY4RNPY1RNPY5RNPY2RFOLH1
SCHEMBL21152809 0.84 C3AR1 (0.35) FOLH1
SCHEMBL22068521 0.84 FURIN (0.32) —
SCHEMBL18594644 0.84 FURIN (0.32) —
SCHEMBL21013102 0.84 FURIN (0.32) —
SCHEMBL22068109 0.83 FURIN (0.33) —

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10464969-B2 Amatoxin derivatives and conjugates thereof as inhibitors of RNA polymerase NOVARTIS AG (CH) 2019-11-05 — — US disclosed
US-20190144504-A1 AMATOXIN DERIVATIVES AND CONJUGATES THEREOF AS INHIBITORS OF RNA POLYMERASE NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2019-05-16 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10464969-B2 Amatoxin derivatives and conjugates thereof as inhibitors of RNA polymerase RNGTT, RNASE1, RNMT NPY4R 3873/4885NPY1R 2894/4885NPY5R 2983/4885
US-20190144504-A1 AMATOXIN DERIVATIVES AND CONJUGATES THEREOF AS INHIBITORS OF RNA POLYMERASE RNGTT, RNASE1, RNMT NPY4R 3873/4885NPY1R 2894/4885NPY5R 2983/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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